1-(2,5-dimethylphenyl)-3-methyl-1H-pyrazol-5-amine hydrochloride

• ChemBase ID: 233745
• Molecular Formular: C12H16ClN3
• Molecular Mass: 237.72854
• Monoisotopic Mass: 237.10327521
• SMILES: n1(c(cc(n1)C)N)c1c(ccc(c1)C)C.Cl
• Canonical SMILES: Cc1ccc(c(c1)n1nc(cc1N)C)C.Cl
• InChI: InChI=1S/C12H15N3.ClH/c1-8-4-5-9(2)11(6-8)15-12(13)7-10(3)14-15;/h4-7H,13H2,1-3H3;1H
• InChIKey: JMFARHZEJRACPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-dimethylphenyl)-3-methyl-1H-pyrazol-5-amine hydrochloride
• IUPAC Traditional name: 2-(2,5-dimethylphenyl)-5-methylpyrazol-3-amine hydrochloride
• Synonyms: 1-(2,5-dimethylphenyl)-3-methyl-1H-pyrazol-5-amine hydrochloride

Database IDs

• MDL Number: MFCD08445282
• PubChem SID: 164289655
• PubChem CID: 16242621

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.465914
• LogD (pH = 7.4): 2.4774926
• Log P: 2.4776423
• Molar Refractivity: 63.0473 cm^3
• Polarizability: 23.851084 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.679

Product Information

• Purity: 95%
• Salt Data: HCl